ethyl (E)-2-cyano-3-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)prop-2-enoate CAS Name: (E)-2-cyano-3-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)acrylic acid ethyl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC2=C(S1)CCC3=CC=CC=C32)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=NC2=C(S1)CCC3=CC=CC=C32)/C#N

InChI

InChI=1S/C17H15N3O2S/c1-2-22-16(21)12(9-18)10-19-17-20-15-13-6-4-3-5-11(13)7-8-14(15)23-17/h3-6,10H,2,7-8H2,1H3,(H,19,20)/b12-10+